TPCN06156

Name Erythrosaponin B
Molecular Formula C42H68O14
Molecular Weight 796.99
CAS Registry Number 2232914-11-1
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(O)C(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)OC(CO)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Gardenia erythroclada Whole plants 0.000475% Phytochemistry . 2018 Aug;152:36-44 10.1016/j.phytochem.2018.04.016
Properties
HBA 14 HBD 9
HeavyAtoms 56 AlogP 1.85
TPSA 236.06 RotatableBonds 7
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7